SCHEMBL13617333

SCHEMBL13617333

CC(C)CN(C)c1cc(Cl)c(CCC(=O)O)cc1-c1ccc(N)c(C=N)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.33
FFAR4 Q5NUL3 1/20 0.30
CSF3R Q99062 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13617336 0.89 FFAR4 (0.33) NR1H4FFAR4
SCHEMBL12954583 0.81 DPP4 (0.34) NR1H4FFAR4CSF3R
SCHEMBL13617337 0.78 NPSR1 (0.39) FFAR4
SCHEMBL13389075 0.75 TRPA1 (0.41)
SCHEMBL1014143 0.75 AR (0.39)
SCHEMBL12954585 0.72 NPSR1 (0.38) FFAR4
SCHEMBL12954587 0.68
SCHEMBL1013864 0.66 CCNC (0.38)
SCHEMBL13617334 0.65 FOS (0.42) NR1H4
SCHEMBL13389074 0.65 TRPA1 (0.44)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133831-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2009-11-05 WO disclosed